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5,5,8a-trimethyl-4a,5,6,7,8,8a-hexahydro-N-{2'-(2',5'-dimethoxyphenyl)-2'-hydroxy-1'-methylethyl}pyrrolo[3,4-a]naphthalene

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5,5,8a-trimethyl-4a,5,6,7,8,8a-hexahydro-N-{2'-(2',5'-dimethoxyphenyl)-2'-hydroxy-1'-methylethyl}pyrrolo[3,4-a]naphthalene
SpectraBase Compound ID KrMzX6J0wtv
InChI InChI=1S/C26H35NO3/c1-17(24(28)20-13-19(29-5)11-12-23(20)30-6)27-15-18-14-25(2,3)21-9-7-8-10-22(21)26(18,4)16-27/h7-13,17-18,24,28H,14-16H2,1-6H3
InChIKey RZGKQZXAUQGBLZ-UHFFFAOYSA-N
Mol Weight 409.6 g/mol
Molecular Formula C26H35NO3
Exact Mass 409.261694 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HJU0iD4GHrC
Name 5,5,8A-Trimethyl-4A,5,6,7,8,8A-hexahydro-N-{2'-(2',5'-dimethoxyphenyl)-2'-hydroxy-1'-methylethyl}pyrrolo[3,4-A]naphthalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.261693988 u
Formula C26H35NO3
InChI InChI=1S/C26H35NO3/c1-17(24(28)20-13-19(29-5)11-12-23(20)30-6)27-15-18-14-25(2,3)21-9-7-8-10-22(21)26(18,4)16-27/h7-13,17-18,24,28H,14-16H2,1-6H3
InChIKey RZGKQZXAUQGBLZ-UHFFFAOYSA-N
Molecular Weight 409.570 g/mol
SMILES C12(C(CN(C2)C(C(C2=C(C=CC(=C2)OC)OC)O)C)CC(C2=C1C=CC=C2)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860156